(R)-(-)-2-氨基-2-甲基丁二酸

  • 基本信息
  • 物化性质
  • MSDS
  • 结构与计算化学
  • 上游产品

(R)-(-)-2-氨基-2-甲基丁二酸 基本信息

中文名称:
(R)-(-)-2-氨基-2-甲基丁二酸 
中文别名:
(R)-(-)-2-氨基-2-甲基丁二酸;
2-甲基-d-天门冬氨酸 
英文名称:
D-Aspartic acid,2-methyl-
英文别名:
(R)-alpha-Methylaspartic acid;
(2R)-2-azaniumyl-2-methylbutanedioate 
CAS No.:
14603-76-0
分 子 式:
C5H9NO4
分 子 量:
147.13
精确分子量:
147.05300
PSA:
100.62000
InChI:
The Key: CWAYDJFPMMUKOI-RXMQYKEDSA-N
分子结构式:
SDS:
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(R)-(-)-2-氨基-2-甲基丁二酸 物化性质

外观与性状:
白色细结晶粉末
沸点:
259.2ºC at 760mmHg
闪点:
110.6ºC
折射率:
1.524
蒸汽压:
0.00395mmHg at 25°C

(R)-(-)-2-氨基-2-甲基丁二酸 MSDS

Name: (R)-(-)-2-Amino-2-methylbutanedioic acid 99+% (80% e.e.) Material Safety Data Sheet
Synonym: (-)-2-Methyl-D-aspartic acid
CAS: 14603-76-0
Section 1 - Chemical Product   MSDS Name:(R)-(-)-2-Amino-2-methylbutanedioic acid 99+% (80% e.e.) Material Safety Data Sheet
Synonym:(-)-2-Methyl-D-aspartic acid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
14603-76-0 (R)-(-)-2-Amino-2-methylbutanedioic ac >99 unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid breathing dust.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 14603-76-0: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C5H9NO4
Molecular Weight: 147.13

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 14603-76-0 unlisted.
LD50/LC50:
Not available.
Not available.
Carcinogenicity:
(R)-(-)-2-Amino-2-methylbutanedioic acid - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 14603-76-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 14603-76-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 14603-76-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

(R)-(-)-2-氨基-2-甲基丁二酸 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):-2.4

2.氢键供体数量:1

3.氢键受体数量:4

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积108

7.重原子数量:10

8.表面电荷:-1

9.复杂度:156

10.同位素原子数量:0

11.确定原子立构中心数量:1

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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